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	hartrees
Energy at 0K	-379.595348
Energy at 298.15K	-379.601324
HF Energy	-379.595348
Nuclear repulsion energy	237.328203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3102	2959	0.00
2	A_g	3061	2920	0.00
3	A_g	1736	1656	0.00
4	A_g	1488	1420	0.00
5	A_g	1421	1356	0.00
6	A_g	1287	1228	0.00
7	A_g	699	667	0.00
8	A_g	213	203	0.00
9	A_g	174	166	0.00
10	A_u	1116	1065	89.92
11	A_u	1017	970	165.27
12	A_u	188	179	10.10
13	A_u	79	76	2.51
14	B_g	1090	1040	0.00
15	B_g	995	949	0.00
16	B_g	266	254	0.00
17	B_u	3186	3040	2129.94
18	B_u	3090	2948	642.07
19	B_u	1812	1729	864.72
20	B_u	1461	1394	1.04
21	B_u	1419	1354	61.50
22	B_u	1288	1228	343.86
23	B_u	732	698	43.42
24	B_u	286	273	78.18

Atom	x (Å)	y (Å)
C1	1.607	-0.983
C2	-1.607	0.983
O3	1.607	0.232
O4	-1.607	-0.232
O5	0.558	-1.755
O6	-0.558	1.755
H7	2.539	-1.558
H8	-2.539	1.558
H9	0.281	1.207
H10	-0.281	-1.207

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7679	1.2154	3.3005	1.3025	3.4906	1.0951	4.8630	2.5604	1.9011
C2	3.7679		3.3005	1.2154	3.4906	1.3025	4.8630	1.0951	1.9011	2.5604
O3	1.2154	3.3005		3.2472	2.2471	2.6466	2.0181	4.3530	1.6458	2.3737
O4	3.3005	1.2154	3.2472		2.6466	2.2471	4.3530	2.0181	2.3737	1.6458
O5	1.3025	3.4906	2.2471	2.6466		3.6829	1.9915	4.5349	2.9748	1.0018
O6	3.4906	1.3025	2.6466	2.2471	3.6829		4.5349	1.9915	1.0018	2.9748
H7	1.0951	4.8630	2.0181	4.3530	1.9915	4.5349		5.9581	3.5698	2.8420
H8	4.8630	1.0951	4.3530	2.0181	4.5349	1.9915	5.9581		2.8420	3.5698
H9	2.5604	1.9011	1.6458	2.3737	2.9748	1.0018	3.5698	2.8420		2.4783
H10	1.9011	2.5604	2.3737	1.6458	1.0018	2.9748	2.8420	3.5698	2.4783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.323	C1	O5	H10	110.502
C2	O4	H10	126.323	C2	O6	H9	110.502
O3	C1	O5	126.329	O3	C1	H7	121.631
O3	H9	O6	176.847	O4	C2	O6	126.329
O4	C2	H8	121.631	O4	H10	O5	176.847
O5	C1	H7	112.040	O6	C2	H8	112.040

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)

using model chemistry: mPW1PW91/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.259
2	C	0.259
3	O	-0.410
4	O	-0.410
5	O	-0.254
6	O	-0.254
7	H	0.108
8	H	0.108
9	H	0.297
10	H	0.297

	x	y	z
x	6.524	-0.518	0.000
y	-0.518	7.069	0.000
z	0.000	0.000	3.322

<r²>	181.140
(<r²>)^1/2	13.459

All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)